* LIGAND DATABASE FILE (OPLS2005)
*
001      86    87    157    228     451
    1     0 S   NP   _N1_     1    28.63872    94.92136   -21.59182
    2     1 S   H    _HN1     2     1.02837    31.64543   156.68926
    3     1 S   H    _H1_     3     1.02779    90.60540   -78.66435
    4     1 S   H    _H2_     4     1.02961    88.44523    29.65242
    5     1 S   CT   _CA1     5     1.50092   142.32679   152.04241
    6     5 S   HC   _HA1     6     1.09569   105.27809    61.76916
    7     5 S   CO3  _C1_     7     1.53767   112.42358   -58.56984
    8     7 S   O2Z  _O11     8     1.26355   115.00832   -43.37759
    9     7 S   O2Z  _O12     9     1.26233   114.95274   136.06413
   10     5 S   CT   _CB1    10     1.53101   107.45990   179.79633
   11    10 S   HC   HB11    11     1.09821   109.41292   -50.38982
   12    10 S   HC   HB12    12     1.09824   110.38041    66.19216
   13    10 S   CT   _CG1    13     1.52993   112.64595  -171.49615
   14    13 S   HC   HG11    14     1.09539   110.42814   -62.13046
   15    13 S   HC   HG12    15     1.09642   110.04524    57.07049
   16    13 S   C    _CD1    16     1.51768   112.32259   177.43357
   17    16 S   O    _OE1    17     1.22716   123.25403    -5.42238
   18    16 S   N    _N2_    18     1.38625   111.61425   174.88603
   19    18 S   H    _HN2    19     1.01587   119.03203     1.19387
   20    18 S   CT1  _CA2    20     1.46193   123.36395  -179.49410
   21    20 S   HC   _HA2    21     1.09734   109.38470   -10.81447
   22    20 S   C    _C2_    22     1.53445   108.30432  -126.46534
   23    22 S   O    _O2_    23     1.23014   122.21401  -145.57005
   24    20 S   CT   _CB2    32     1.53442   111.52820   111.25373
   25    24 S   HC   HB21    33     1.09588   109.80902    55.54804
   26    24 S   HC   HB22    34     1.09418   110.10659   174.47238
   27    22 S   N    _N3_    24     1.38496   113.37858    41.71347
   28    27 S   H    _HN3    25     1.01527   118.92474    -0.73115
   29    24 S   S    _SG2    35     1.82845   111.72408   -65.30449
   30    27 S   CT   _CA3    26     1.45467   123.58048   175.20494
   31    30 S   HC   HA31    27     1.09511   109.42173    20.67031
   32    30 S   HC   HA32    28     1.09500   107.07668   137.70150
   33    29 S   CT   _C15    36     1.86092    99.88370   172.20265
   34    33 S   HC   _H3_    37     1.09364   104.44691   -35.77998
   35    30 S   CO3  _C3_    29     1.52913   112.98255  -102.93441
   36    35 S   O2Z  _O31    30     1.26413   115.35091   -45.58539
   37    35 S   O2Z  _O32    31     1.26346   115.01606   135.31330
   38    33 S   CT   _C13    38     1.53868   108.06169    80.09922
   39    38 S   HC   _H32    39     1.09529   111.75578   -48.37449
   40    38 S   HC   _H33    40     1.09466   111.25640  -166.69166
   41    38 S   CO4  _C10    41     1.51143   111.94243    74.05356
   42    41 S   O    _O21    42     1.23027   121.53800  -136.58262
   43    41 S   CT   _C12    43     1.50777   116.63679    49.02746
   44    43 S   HC   _H30    44     1.09448   108.39661    73.33344
   45    43 S   HC   _H31    45     1.09548   108.72623  -169.73548
   46    43 S   CT   _C14    46     1.52492   110.61631   -49.53167
   47    46 S   HC   _H34    47     1.09515   108.86813   179.88465
   48    46 S   HC   _H35    48     1.09794   108.11363   -67.32668
   49    33 S   CT   _C16    49     1.58600   113.51518  -154.65983
   50    49 S   CA   _C7_    50     1.56128   113.88741   170.35957
   51    49 S   CT   _C21    69     1.57078   112.15529    49.77926
   52    51 S   HC   _H49    70     1.09738   110.37267   -67.17807
   53    51 S   HC   _H50    71     1.09888   109.36065   178.98201
   54    50 S   CA   _C4_    51     1.40718   120.43226   165.47375
   55    54 S   HA   _H27    52     1.08674   121.02699    -0.48819
   56    51 S   CT   _C22    72     1.53648   115.33640    56.06889
   57    56 S   HC   _H51    73     1.09486   111.37870   -70.79957
   58    56 S   HC   _H52    74     1.09322   110.98896    48.03993
   59    54 S   CA   _C5_    53     1.39886   122.01168   178.24543
   60    59 S   HA   _H28    54     1.08561   117.57072   179.88636
   61    56 S   N    _N20    75     1.46779   111.26429   168.50702
   62    59 S   CA   _C8_    55     1.39326   120.43472    -0.59281
   63    61 S   CO4  _C11    76     1.39795   122.52774   -87.39541
   64    63 S   O    _O22    77     1.22862   124.54397   179.55589
   65    61 S   CT   _C17    83     1.45548   117.17117    89.37037
   66    65 S   HC   _H37    84     1.09353   108.96489   -58.38295
   67    65 S   HC   _H38    85     1.09277   111.62194  -178.78953
   68    65 S   HC   _H39    86     1.09369   108.70758    61.00488
   69    62 S   CA   _C9_    56     1.40338   119.08506    -0.37534
   70    62 S   OS   _O23    64     1.37239   124.75208  -179.94405
   71    63 S   OS   _O25    78     1.36967   112.33000    -0.00000
   72    50 S   CA   _C6_    57     1.40802   122.88275   -18.16998
   73    72 S   HA   _H29    58     1.08273   119.37581     0.69041
   74    69 S   OS   _O24    59     1.37447   115.64527  -179.32074
   75    70 S   CT   _C18    65     1.42230   117.28929     0.32143
   76    75 S   HC   _H40    66     1.09429   107.74016   179.88131
   77    75 S   HC   _H41    67     1.09500   111.13621    62.16556
   78    75 S   HC   _H42    68     1.09495   111.14306   -62.39714
   79    71 S   CT   _C20    79     1.43070   115.96488   179.38324
   80    79 S   HC   _H46    80     1.09337   108.04529  -180.00000
   81    79 S   HC   _H47    81     1.09408   110.29280    61.34205
   82    79 S   HC   _H48    82     1.09409   110.26872   -61.35977
   83    74 S   CT   _C19    60     1.42192   117.63524  -178.34981
   84    83 S   HC   _H43    61     1.09429   107.73246   178.40873
   85    83 S   HC   _H44    62     1.09503   111.21325    60.68408
   86    83 S   HC   _H45    63     1.09490   111.08134   -63.95409
  12   6   5   4  11   7   6   2   1   8   5   4   7   4   3   7
   3  10   4  11   7  11   4   8   3   2   7   4  10   5   4   3
  18   8   2   1   1  11   5   4   8   4   8   5   4  10   4   3
  14  13  10   5   4   8   4  10   4   3   7   3   8  10  10   3
   4   2   1   1   9   6   4   3   1   4   3   2   1   1   3   2
   1   1   3   2   1   1
    2     3     4     5     6     7     8     9    10    11    12    13  
    3     4     5     6     7    10  
    4     5     6     7    10  
    5     6     7    10  
    6     7     8     9    10    11    12    13    14    15    16  
    7     8     9    10    11    12    13  
    8     9    10    11    12    13  
    9    10  
   10  
   11    12    13    14    15    16    17    18  
   12    13    14    15    16  
   13    14    15    16  
   14    15    16    17    18    19    20  
   15    16    17    18  
   16    17    18  
   17    18    19    20    21    22    24  
   18    19    20  
   19    20    21    22    23    27    24    25    26    29  
   20    21    22    24  
   21    22    23    27    28    30    24    25    26    29    33  
   22    23    27    24    25    26    29  
   23    27    28    30    31    32    35    24    25    26    29  
   27    28    30    24  
   25    26    29    33    34    38    49    27  
   26    29    33  
   29    33  
   28    30    31    32    35    36    37  
   30    31    32    35  
   33    34    38    39    40    41    46    49    50    51  
   31    32    35    36    37  
   32    35    36    37  
   35    36    37  
   34    38    39    40    41    42    43    46    47    48    49    50    54    72    51    52    53    56  
   38    39    40    41    46    49    50    51  
   36    37  
   37  
    0  
   39    40    41    42    43    44    45    46    49    50    51  
   40    41    42    43    49  
   41    42    43    49  
   42    43    44    45    46    47    48    49  
   43    44    45    46  
   44    45    46    47    48    49    50    51  
   45    46    47    48    49  
   46    47    48    49  
   47    48    49    50    54    72    51    52    53    56  
   48    49    50    51  
   49    50    51  
   50    54    55    59    69    72    73    51    52    53    56    57    58    61  
   54    55    59    60    62    69    72    73    74    51    52    53    56  
   52    53    56    57    58    61    63    65    54    72  
   53    56    57    58    61  
   56    57    58    61  
   55    59    60    62    69    72    73    70  
   59    60    62    72  
   57    58    61    63    64    71    65    66    67    68  
   58    61    63    65  
   61    63    65  
   60    62    69    72    74    70    75  
   62    69    70  
   63    64    71    79    65    66    67    68  
   69    72    73    74    83    70    75    76    77    78  
   64    71    79    80    81    82    65    66    67    68  
   71    79    65  
   66    67    68    71  
   67    68  
   68  
    0  
   72    73    74    83    84    85    86    70    75  
   75    76    77    78    72    74  
   79    80    81    82  
   73    74    83  
   74  
   83    84    85    86  
   76    77    78  
   77    78  
   78  
    0  
   80    81    82  
   81    82  
   82  
    0  
   84    85    86  
   85    86  
   86  
    0  
NBON
    1   3.2500   0.1700   0.247500   2.2900   2.0360   0.003973653   1.685851020
    2   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    3   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    4   0.5000   0.0300   0.210000   0.9960   0.8600   0.030040813  -0.651083722
    5   3.5000   0.0660   0.062500   1.9750   1.7500   0.005000000  -0.741685710
    6   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
    7   3.7500   0.1050   0.445000   2.1120   1.8750   0.001000000  -0.126889456
    8   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
    9   3.1500   0.2500  -0.722500   1.7000   1.5000   0.001000000  -0.126889456
   10   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   11   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   12   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   13   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   14   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   15   2.5000   0.0300   0.060000   1.6450   1.4500   0.008598240   0.268726247
   16   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   17   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   18   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   19   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   20   3.5000   0.0660   0.140000   1.9750   1.7500   0.005000000  -0.741685710
   21   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   22   3.7500   0.1050   0.500000   1.9250   1.7000   0.001000000  -0.126889456
   23   2.9600   0.2100  -0.500000   1.5250   1.4250   0.001000000  -1.480495490
   24   3.5000   0.0660   0.047500   1.9750   1.7500   0.005000000  -0.741685710
   25   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   26   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   27   3.2500   0.1700  -0.500000   1.8100   1.6000   0.054801302  -1.445846770
   28   0.5000   0.0300   0.300000   1.5900   1.4000   0.030040813  -0.651083722
   29   3.6000   0.3550  -0.335000   2.0300   1.8000   0.025682759  -1.666211680
   30   3.5000   0.0660  -0.020000   1.9750   1.7500   0.005000000  -0.741685710
   31   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   32   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   33   3.5000   0.0660   0.107500   1.9750   1.7500   0.005000000  -0.741685710
   34   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   35   3.7500   0.1050   0.700000   2.1120   1.8750   0.001000000  -0.126889456
   36   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   37   2.9600   0.2100  -0.800000   1.7000   1.5000   0.001000000  -0.126889456
   38   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   39   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   40   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   41   3.7500   0.1050   0.470000   2.1120   1.8750   0.001000000  -0.126889456
   42   2.9600   0.2100  -0.470000   1.6780   1.4800   0.001000000  -0.126889456
   43   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   44   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   45   2.4200   0.0150   0.060000   1.4250   1.2500   0.008598240   0.268726247
   46   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   47   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   48   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   49   3.5000   0.0660   0.115000   1.9750   1.7500   0.005000000  -0.741685710
   50   3.5500   0.0700  -0.115000   2.5000   1.7750   0.001000000  -0.843144165
   51   3.5000   0.0660  -0.120000   1.9750   1.7500   0.005000000  -0.741685710
   52   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   53   2.5000   0.0300   0.060000   1.4250   1.2500   0.008598240   0.268726247
   54   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   55   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   56   3.5000   0.0660  -0.070300   1.9750   1.7500   0.005000000  -0.741685710
   57   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   58   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   59   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   60   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   61   3.2500   0.1700  -0.221900   1.8100   1.6000   0.054801302  -1.445846770
   62   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   63   3.7500   0.1050   0.699500   1.9250   1.7000   0.001000000  -0.126889456
   64   2.9600   0.2100  -0.497000   1.5250   1.4250   0.001000000  -1.480495490
   65   3.5000   0.0660  -0.130300   1.9750   1.7500   0.005000000  -0.741685710
   66   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   67   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   68   2.5000   0.0300   0.060000   1.3810   1.2100   0.008598240   0.268726247
   69   3.5500   0.0700   0.085000   2.5000   1.7750   0.001000000  -0.843144165
   70   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   71   3.0000   0.1700  -0.330000   1.5900   1.4000   0.020110767  -0.896042159
   72   3.5500   0.0700  -0.115000   2.0020   1.7750   0.001000000  -0.843144165
   73   2.4200   0.0300   0.115000   1.3810   1.2100   0.030040813   0.268726247
   74   2.9000   0.1400  -0.285000   1.7660   1.5600   0.020110767  -0.896042159
   75   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   76   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   77   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   78   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   79   3.5000   0.0660   0.160000   1.9750   1.7500   0.005000000  -0.741685710
   80   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   81   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   82   2.4200   0.0150   0.030000   1.3810   1.2100   0.008598240   0.268726247
   83   3.5000   0.0660   0.110000   1.9750   1.7500   0.005000000  -0.741685710
   84   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   85   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
   86   2.5000   0.0300   0.030000   1.4250   1.2500   0.008598240   0.268726247
BOND
    1     2   434.000  1.010
    1     3   434.000  1.010
    1     4   434.000  1.010
    1     5   367.000  1.471
    5     6   340.000  1.090
    5     7   317.000  1.522
    5    10   268.000  1.529
    7     8   656.000  1.250
    7     9   656.000  1.250
   10    11   340.000  1.090
   10    12   340.000  1.090
   10    13   268.000  1.529
   13    14   340.000  1.090
   13    15   340.000  1.090
   13    16   317.000  1.522
   16    17   570.000  1.229
   16    18   490.000  1.335
   18    19   434.000  1.010
   18    20   337.000  1.449
   20    21   340.000  1.090
   20    22   317.000  1.522
   20    24   268.000  1.529
   22    23   570.000  1.229
   22    27   490.000  1.335
   27    28   434.000  1.010
   27    30   337.000  1.449
   30    31   340.000  1.090
   30    32   340.000  1.090
   30    35   317.000  1.522
   35    36   656.000  1.250
   35    37   656.000  1.250
   24    25   340.000  1.090
   24    26   340.000  1.090
   24    29   222.000  1.810
   29    33   222.000  1.810
   33    34   340.000  1.090
   33    38   268.000  1.529
   33    49   268.000  1.529
   38    39   340.000  1.090
   38    40   340.000  1.090
   38    41   317.000  1.522
   41    42   570.000  1.229
   41    43   317.000  1.522
   43    44   340.000  1.090
   43    45   340.000  1.090
   43    46   268.000  1.529
   46    47   340.000  1.090
   46    48   340.000  1.090
   46    49   268.000  1.529
   49    50   317.000  1.510
   49    51   268.000  1.529
   50    54   469.000  1.400
   50    72   469.000  1.400
   54    55   367.000  1.080
   54    59   469.000  1.400
   59    60   367.000  1.080
   59    62   469.000  1.400
   62    69   469.000  1.400
   62    70   450.000  1.364
   69    72   469.000  1.400
   69    74   450.000  1.364
   72    73   367.000  1.080
   74    83   320.000  1.410
   83    84   340.000  1.090
   83    85   340.000  1.090
   83    86   340.000  1.090
   70    75   320.000  1.410
   75    76   340.000  1.090
   75    77   340.000  1.090
   75    78   340.000  1.090
   51    52   340.000  1.090
   51    53   340.000  1.090
   51    56   268.000  1.529
   56    57   340.000  1.090
   56    58   340.000  1.090
   56    61   337.000  1.449
   61    63   435.000  1.380
   61    65   337.000  1.449
   63    64   570.000  1.229
   63    71   214.000  1.327
   71    79   320.000  1.410
   79    80   340.000  1.090
   79    81   340.000  1.090
   79    82   340.000  1.090
   65    66   340.000  1.090
   65    67   340.000  1.090
   65    68   340.000  1.090
THET
    1     5     6    35.00000  109.50000
    1     5     7    80.00000  109.26000
    1     5    10    80.00000  111.20000
    3     1     2    35.00000  109.50000
    4     1     2    35.00000  109.50000
    4     1     3    35.00000  109.50000
    5     1     2    35.00000  109.50000
    5     1     3    35.00000  109.50000
    5     1     4    35.00000  109.50000
    5     7     8    70.00000  117.00000
    5     7     9    70.00000  117.00000
    5    10    11    37.50000  110.70000
    5    10    12    37.50000  110.70000
    5    10    13    58.35000  112.70000
    7     5     6    35.00000  109.50000
    9     7     8    80.00000  126.00000
   10     5     6    37.50000  110.70000
   10     5     7    70.00000  109.69300
   10    13    14    37.50000  110.70000
   10    13    15    37.50000  110.70000
   10    13    16    63.00000  111.10000
   12    10    11    33.00000  107.80000
   13    10    11    37.50000  110.70000
   13    10    12    37.50000  110.70000
   13    16    17    80.00000  120.40000
   13    16    18    70.00000  116.60000
   15    13    14    33.00000  107.80000
   16    13    14    35.00000  109.50000
   16    13    15    35.00000  109.50000
   16    18    19    35.00000  119.80000
   16    18    20    50.00000  121.90000
   18    16    17    80.00000  122.90000
   18    20    21    35.00000  109.50000
   18    20    22    63.00000  110.10000
   18    20    24    80.00000  109.70000
   20    18    19    38.00000  118.40000
   20    22    23    80.00000  120.40000
   20    22    27    70.00000  116.60000
   20    24    25    37.50000  110.70000
   20    24    26    37.50000  110.70000
   20    24    29    75.00000  108.68000
   22    20    21    35.00000  109.50000
   22    27    28    35.00000  119.80000
   22    27    30    50.00000  121.90000
   27    22    23    80.00000  122.90000
   27    30    31    35.00000  109.50000
   27    30    32    35.00000  109.50000
   27    30    35    63.00000  110.10000
   30    27    28    38.00000  118.40000
   30    35    36    70.00000  117.00000
   30    35    37    70.00000  117.00000
   32    30    31    33.00000  107.80000
   35    30    31    35.00000  109.50000
   35    30    32    35.00000  109.50000
   37    35    36    80.00000  126.00000
   24    20    21    37.50000  110.70000
   24    20    22    63.00000  111.10000
   24    29    33    62.00000   98.90000
   26    24    25    33.00000  107.80000
   29    24    25    35.00000  109.50000
   29    24    26    35.00000  109.50000
   29    33    34    35.00000  109.50000
   29    33    38    75.00000  111.63000
   29    33    49    75.00000  111.63000
   33    38    39    37.50000  110.70000
   33    38    40    37.50000  110.70000
   33    38    41    63.00000  111.10000
   33    49    46    58.35000  112.70000
   33    49    50    70.00000  112.17500
   33    49    51    58.35000  112.70000
   38    33    34    37.50000  110.70000
   38    41    42    80.00000  120.40000
   38    41    43    70.00000  116.00000
   40    38    39    33.00000  107.80000
   41    38    39    35.00000  109.50000
   41    38    40    35.00000  109.50000
   41    43    44    35.00000  109.50000
   41    43    45    35.00000  109.50000
   41    43    46    63.00000  111.10000
   43    41    42    80.00000  120.40000
   43    46    47    37.50000  110.70000
   43    46    48    37.50000  110.70000
   43    46    49    58.35000  112.70000
   45    43    44    33.00000  107.80000
   46    43    44    37.50000  110.70000
   46    43    45    37.50000  110.70000
   46    49    50    70.00000  112.17500
   46    49    51    58.35000  112.70000
   48    46    47    33.00000  107.80000
   49    33    34    37.50000  110.70000
   49    33    38    58.35000  112.70000
   49    46    47    37.50000  110.70000
   49    46    48    37.50000  110.70000
   49    50    54    70.00000  120.00000
   49    50    72    70.00000  120.00000
   49    51    52    37.50000  110.70000
   49    51    53    37.50000  110.70000
   49    51    56    58.35000  112.70000
   50    54    55    35.00000  120.00000
   50    54    59    63.00000  120.00000
   50    72    69    63.00000  120.00000
   50    72    73    35.00000  120.00000
   54    59    60    35.00000  120.00000
   54    59    62    63.00000  120.00000
   59    54    55    35.00000  120.00000
   59    62    69    63.00000  120.00000
   59    62    70    70.00000  120.00000
   62    59    60    35.00000  120.00000
   62    69    72    63.00000  120.00000
   62    69    74    70.00000  120.00000
   62    70    75    75.00000  111.00000
   69    72    73    35.00000  120.00000
   69    74    83    75.00000  111.00000
   72    50    54    63.00000  120.00000
   74    69    72    70.00000  120.00000
   74    83    84    35.00000  109.50000
   74    83    85    35.00000  109.50000
   74    83    86    35.00000  109.50000
   85    83    84    33.00000  107.80000
   86    83    84    33.00000  107.80000
   86    83    85    33.00000  107.80000
   70    62    69    70.00000  120.00000
   70    75    76    35.00000  109.50000
   70    75    77    35.00000  109.50000
   70    75    78    35.00000  109.50000
   77    75    76    33.00000  107.80000
   78    75    76    33.00000  107.80000
   78    75    77    33.00000  107.80000
   51    49    50    70.00000  112.17500
   51    56    57    37.50000  110.70000
   51    56    58    37.50000  110.70000
   51    56    61    70.00000  110.72300
   53    51    52    33.00000  107.80000
   56    51    52    37.50000  110.70000
   56    51    53    37.50000  110.70000
   56    61    63    70.00000  120.44000
   56    61    65    50.00000  118.00000
   58    56    57    33.00000  107.80000
   61    56    57    35.00000  109.50000
   61    56    58    35.00000  109.50000
   61    63    64    85.00000  125.96000
   61    63    71   110.00000  108.75700
   61    65    66    35.00000  109.50000
   61    65    67    35.00000  109.50000
   61    65    68    35.00000  109.50000
   63    71    79    83.00000  116.90000
   71    63    64    83.00000  123.40000
   71    79    80    35.00000  109.50000
   71    79    81    35.00000  109.50000
   71    79    82    35.00000  109.50000
   81    79    80    33.00000  107.80000
   82    79    80    33.00000  107.80000
   82    79    81    33.00000  107.80000
   65    61    63    70.00000  120.44000
   67    65    66    33.00000  107.80000
   68    65    66    33.00000  107.80000
   68    65    67    33.00000  107.80000
PHI
    1     5     7     8   0.30150 -1.0 2.0
    1     5     7     9   0.30150 -1.0 2.0
    1     5    10    11   0.19200  1.0 3.0
    1     5    10    12   0.19200  1.0 3.0
    1     5    10    13   1.36600  1.0 1.0
    1     5    10    13  -0.11450 -1.0 2.0
    1     5    10    13   0.24250  1.0 3.0
    2     1     5     6   0.13050  1.0 3.0
    2     1     5     7   0.17350  1.0 3.0
    2     1     5    10   0.17350  1.0 3.0
    3     1     5     6   0.13050  1.0 3.0
    3     1     5     7   0.17350  1.0 3.0
    3     1     5    10   0.17350  1.0 3.0
    4     1     5     6   0.13050  1.0 3.0
    4     1     5     7   0.17350  1.0 3.0
    4     1     5    10   0.17350  1.0 3.0
    5    10    13    14   0.15000  1.0 3.0
    5    10    13    15   0.15000  1.0 3.0
    5    10    13    16  -0.95700  1.0 1.0
    5    10    13    16  -0.18200 -1.0 2.0
    5    10    13    16   0.29450  1.0 3.0
    6     5     7     8   0.00000  1.0 1.0
    6     5     7     9   0.00000  1.0 1.0
    6     5    10    11   0.15000  1.0 3.0
    6     5    10    12   0.15000  1.0 3.0
    6     5    10    13   0.15000  1.0 3.0
    7     5    10    11  -0.11250  1.0 3.0
    7     5    10    12  -0.11250  1.0 3.0
    7     5    10    13  -1.63150  1.0 1.0
    7     5    10    13  -0.43550 -1.0 2.0
    7     5    10    13   0.24500  1.0 3.0
   10     5     7     8   0.41150 -1.0 2.0
   10     5     7     9   0.41150 -1.0 2.0
   10    13    16    17   0.30150 -1.0 2.0
   10    13    16    18   1.39750  1.0 1.0
   10    13    16    18  -0.07950 -1.0 2.0
   10    13    16    18  -0.18750  1.0 3.0
   11    10    13    14   0.15000  1.0 3.0
   11    10    13    15   0.15000  1.0 3.0
   11    10    13    16  -0.11250  1.0 3.0
   12    10    13    14   0.15000  1.0 3.0
   12    10    13    15   0.15000  1.0 3.0
   12    10    13    16  -0.11250  1.0 3.0
   13    16    18    19   2.45000 -1.0 2.0
   13    16    18    20   1.15000  1.0 1.0
   13    16    18    20   3.04450 -1.0 2.0
   14    13    16    17   0.00000  1.0 1.0
   14    13    16    18   0.00000  1.0 1.0
   15    13    16    17   0.00000  1.0 1.0
   15    13    16    18   0.00000  1.0 1.0
   16    18    20    21   0.00000  1.0 1.0
   16    18    20    22  -0.29800  1.0 1.0
   16    18    20    22   0.13950 -1.0 2.0
   16    18    20    22  -2.45650  1.0 3.0
   16    18    20    24   0.25950  1.0 1.0
   16    18    20    24   0.43850 -1.0 2.0
   16    18    20    24   2.61650  1.0 3.0
   17    16    18    19   2.45000 -1.0 2.0
   17    16    18    20   3.04450 -1.0 2.0
   18    20    22    23   0.00000  1.0 1.0
   18    20    22    27   0.37150  1.0 1.0
   18    20    22    27   1.25400 -1.0 2.0
   18    20    22    27  -0.40250  1.0 3.0
   18    20    24    25   0.23200  1.0 3.0
   18    20    24    26   0.23200  1.0 3.0
   18    20    24    29   0.71400  1.0 1.0
   18    20    24    29   0.04300 -1.0 2.0
   18    20    24    29   0.01450  1.0 3.0
   19    18    20    21   0.00000  1.0 1.0
   19    18    20    22   0.00000  1.0 1.0
   19    18    20    24   0.00000  1.0 1.0
   20    22    27    28   2.45000 -1.0 2.0
   20    22    27    30   1.15000  1.0 1.0
   20    22    27    30   3.04450 -1.0 2.0
   20    24    29    33   0.01700  1.0 1.0
   20    24    29    33  -0.23550 -1.0 2.0
   20    24    29    33   0.21350  1.0 3.0
   21    20    22    23   0.00000  1.0 1.0
   21    20    22    27   0.00000  1.0 1.0
   21    20    24    25   0.15000  1.0 3.0
   21    20    24    26   0.15000  1.0 3.0
   21    20    24    29   0.15000  1.0 3.0
   22    20    24    25  -0.03800  1.0 3.0
   22    20    24    26  -0.03800  1.0 3.0
   22    20    24    29  -2.17200  1.0 1.0
   22    20    24    29  -0.85700 -1.0 2.0
   22    27    30    31   0.00000  1.0 1.0
   22    27    30    32   0.00000  1.0 1.0
   22    27    30    35  -0.29800  1.0 1.0
   22    27    30    35   0.13950 -1.0 2.0
   22    27    30    35  -2.45650  1.0 3.0
   23    22    27    28   2.45000 -1.0 2.0
   23    22    27    30   3.04450 -1.0 2.0
   27    30    35    36   0.00000  1.0 1.0
   27    30    35    37   0.00000  1.0 1.0
   28    27    30    31   0.00000  1.0 1.0
   28    27    30    32   0.00000  1.0 1.0
   28    27    30    35   0.00000  1.0 1.0
   31    30    35    36   0.00000  1.0 1.0
   31    30    35    37   0.00000  1.0 1.0
   32    30    35    36   0.00000  1.0 1.0
   32    30    35    37   0.00000  1.0 1.0
   24    20    22    23   0.00000  1.0 1.0
   24    20    22    27   0.93250  1.0 1.0
   24    20    22    27   0.04450 -1.0 2.0
   24    20    22    27   0.17550  1.0 3.0
   24    29    33    34   0.32350  1.0 3.0
   24    29    33    38   0.01700  1.0 1.0
   24    29    33    38  -0.23550 -1.0 2.0
   24    29    33    38   0.21350  1.0 3.0
   24    29    33    49   0.01700  1.0 1.0
   24    29    33    49  -0.23550 -1.0 2.0
   24    29    33    49   0.21350  1.0 3.0
   25    24    29    33   0.32350  1.0 3.0
   26    24    29    33   0.32350  1.0 3.0
   29    33    38    39   0.15000  1.0 3.0
   29    33    38    40   0.15000  1.0 3.0
   29    33    38    41   0.56750  1.0 1.0
   29    33    38    41  -0.07550 -1.0 2.0
   29    33    38    41   0.20000  1.0 3.0
   29    33    49    46   0.44750  1.0 1.0
   29    33    49    46  -0.17800 -1.0 2.0
   29    33    49    46   0.20200  1.0 3.0
   29    33    49    50   0.56750  1.0 1.0
   29    33    49    50  -0.07550 -1.0 2.0
   29    33    49    50   0.20000  1.0 3.0
   29    33    49    51   0.44750  1.0 1.0
   29    33    49    51  -0.17800 -1.0 2.0
   29    33    49    51   0.20200  1.0 3.0
   33    38    41    42   0.30150 -1.0 2.0
   33    38    41    43   0.60050  1.0 1.0
   33    38    41    43   0.05600 -1.0 2.0
   33    38    41    43   0.26150  1.0 3.0
   33    49    50    54   0.04150 -1.0 2.0
   33    49    50    72   0.04150 -1.0 2.0
   33    49    51    52   0.15000  1.0 3.0
   33    49    51    53   0.15000  1.0 3.0
   33    49    51    56   0.56750  1.0 1.0
   33    49    51    56  -0.07550 -1.0 2.0
   33    49    51    56   0.20000  1.0 3.0
   34    33    38    39   0.15000  1.0 3.0
   34    33    38    40   0.15000  1.0 3.0
   34    33    38    41  -0.11250  1.0 3.0
   34    33    49    46   0.15000  1.0 3.0
   34    33    49    50   0.43200  1.0 3.0
   34    33    49    51   0.15000  1.0 3.0
   38    33    49    46   0.56750  1.0 1.0
   38    33    49    46  -0.07550 -1.0 2.0
   38    33    49    46   0.20000  1.0 3.0
   38    33    49    50  -0.03700  1.0 1.0
   38    33    49    50   0.37200 -1.0 2.0
   38    33    49    50  -0.47300  1.0 3.0
   38    33    49    51   0.56750  1.0 1.0
   38    33    49    51  -0.07550 -1.0 2.0
   38    33    49    51   0.20000  1.0 3.0
   38    41    43    44   0.00000  1.0 1.0
   38    41    43    45   0.00000  1.0 1.0
   38    41   -43    46   0.60050  1.0 1.0
   38    41   -43    46   0.05600 -1.0 2.0
   38    41   -43    46   0.26150  1.0 3.0
   39    38    41    42   0.00000  1.0 1.0
   39    38    41    43   0.00000  1.0 1.0
   40    38    41    42   0.00000  1.0 1.0
   40    38    41    43   0.00000  1.0 1.0
   41    43    46    47  -0.11250  1.0 3.0
   41    43    46    48  -0.11250  1.0 3.0
   41    43    46    49  -0.95700  1.0 1.0
   41    43    46    49  -0.18200 -1.0 2.0
   41    43    46    49   0.29450  1.0 3.0
   42    41    43    44   0.00000  1.0 1.0
   42    41    43    45   0.00000  1.0 1.0
   42    41    43    46   0.30150 -1.0 2.0
   43    46   -49    33   0.56750  1.0 1.0
   43    46   -49    33  -0.07550 -1.0 2.0
   43    46   -49    33   0.20000  1.0 3.0
   43    46    49    50  -0.03700  1.0 1.0
   43    46    49    50   0.37200 -1.0 2.0
   43    46    49    50  -0.47300  1.0 3.0
   43    46    49    51   0.56750  1.0 1.0
   43    46    49    51  -0.07550 -1.0 2.0
   43    46    49    51   0.20000  1.0 3.0
   44    43    46    47   0.15000  1.0 3.0
   44    43    46    48   0.15000  1.0 3.0
   44    43    46    49   0.15000  1.0 3.0
   45    43    46    47   0.15000  1.0 3.0
   45    43    46    48   0.15000  1.0 3.0
   45    43    46    49   0.15000  1.0 3.0
   46    49    50    54   0.04150 -1.0 2.0
   46    49    50    72   0.04150 -1.0 2.0
   46    49    51    52   0.15000  1.0 3.0
   46    49    51    53   0.15000  1.0 3.0
   46    49    51    56   0.56750  1.0 1.0
   46    49    51    56  -0.07550 -1.0 2.0
   46    49    51    56   0.20000  1.0 3.0
   47    46    49    33   0.15000  1.0 3.0
   47    46    49    50   0.43200  1.0 3.0
   47    46    49    51   0.15000  1.0 3.0
   48    46    49    33   0.15000  1.0 3.0
   48    46    49    50   0.43200  1.0 3.0
   48    46    49    51   0.15000  1.0 3.0
   49    33    38    39   0.15000  1.0 3.0
   49    33    38    40   0.15000  1.0 3.0
   49    33   -38    41  -0.95700  1.0 1.0
   49    33   -38    41  -0.18200 -1.0 2.0
   49    33   -38    41   0.29450  1.0 3.0
   49    50    54    55   3.62500 -1.0 2.0
   49    50    54    59   3.62500 -1.0 2.0
   49    50    72    69   3.62500 -1.0 2.0
   49    50    72    73   3.62500 -1.0 2.0
   49    51    56    57   0.15000  1.0 3.0
   49    51    56    58   0.15000  1.0 3.0
   49    51    56    61   0.43900  1.0 1.0
   49    51    56    61   0.49100 -1.0 2.0
   49    51    56    61   0.28400  1.0 3.0
   50    49    51    52   0.43200  1.0 3.0
   50    49    51    53   0.43200  1.0 3.0
   50    49    51    56  -0.03700  1.0 1.0
   50    49    51    56   0.37200 -1.0 2.0
   50    49    51    56  -0.47300  1.0 3.0
   50    54    59    60   3.62500 -1.0 2.0
   50    54    59    62   3.62500 -1.0 2.0
   54    50    72    69   3.62500 -1.0 2.0
   54    50    72    73   3.62500 -1.0 2.0
   54    59   -62    69   3.62500 -1.0 2.0
   54    59    62    70   3.62500 -1.0 2.0
   55    54    59    60   3.62500 -1.0 2.0
   55    54    59    62   3.62500 -1.0 2.0
   59    62    69    72   3.62500 -1.0 2.0
   59    62    69    74   3.62500 -1.0 2.0
   59    62    70    75   1.63200 -1.0 2.0
   60    59    62    69   3.62500 -1.0 2.0
   60    59    62    70   3.62500 -1.0 2.0
   62    69   -72    50   3.62500 -1.0 2.0
   62    69    72    73   3.62500 -1.0 2.0
   62    69    74    83   1.63200 -1.0 2.0
   62    70    75    76   0.08050  1.0 3.0
   62    70    75    77   0.08050  1.0 3.0
   62    70    75    78   0.08050  1.0 3.0
   69    62    70    75   1.63200 -1.0 2.0
   69    74    83    84   0.08050  1.0 3.0
   69    74    83    85   0.08050  1.0 3.0
   69    74    83    86   0.08050  1.0 3.0
   72    50    54    55   3.62500 -1.0 2.0
   72    50   -54    59   3.62500 -1.0 2.0
   72    69    74    83   1.63200 -1.0 2.0
   74    69    72    50   3.62500 -1.0 2.0
   74    69    72    73   3.62500 -1.0 2.0
   70    62    69    72   3.62500 -1.0 2.0
   70    62    69    74   3.62500 -1.0 2.0
   51    49    50    54   0.04150 -1.0 2.0
   51    49    50    72   0.04150 -1.0 2.0
   51    56    61    63  -0.43950  1.0 1.0
   51    56    61    63  -0.08100 -1.0 2.0
   51    56    61    63   0.03350  1.0 3.0
   51    56    61    65  -0.05900 -1.0 2.0
   52    51    56    57   0.15000  1.0 3.0
   52    51    56    58   0.15000  1.0 3.0
   52    51    56    61   0.15000  1.0 3.0
   53    51    56    57   0.15000  1.0 3.0
   53    51    56    58   0.15000  1.0 3.0
   53    51    56    61   0.15000  1.0 3.0
   56    61    63    64   3.04450 -1.0 2.0
   56    61    63    71   2.45000 -1.0 2.0
   56    61    65    66   0.00000  1.0 1.0
   56    61    65    67   0.00000  1.0 1.0
   56    61    65    68   0.00000  1.0 1.0
   57    56    61    63   0.00000  1.0 1.0
   57    56    61    65   0.00000  1.0 1.0
   58    56    61    63   0.00000  1.0 1.0
   58    56    61    65   0.00000  1.0 1.0
   61    63    71    79  -0.80800  1.0 1.0
   61    63    71    79   2.06850 -1.0 2.0
   63    61    65    66   0.00000  1.0 1.0
   63    61    65    67   0.00000  1.0 1.0
   63    61    65    68   0.00000  1.0 1.0
   63    71    79    80   0.08050  1.0 3.0
   63    71    79    81   0.08050  1.0 3.0
   63    71    79    82   0.08050  1.0 3.0
   64    63    71    79   3.00000 -1.0 2.0
   65    61    63    64   3.04450 -1.0 2.0
   65    61    63    71   2.45000 -1.0 2.0
IPHI
    9     5     7     8  10.50000 -1.0 2.0
   13    18    16    17  10.50000 -1.0 2.0
   19    16    18    20   1.00000 -1.0 2.0
   20    27    22    23  10.50000 -1.0 2.0
   28    22    27    30   1.00000 -1.0 2.0
   37    30    35    36  10.50000 -1.0 2.0
   38    43    41    42  10.50000 -1.0 2.0
   54    72    50    49   4.00000 -1.0 2.0
   59    55    54    50   1.10000 -1.0 2.0
   62    60    59    54   1.10000 -1.0 2.0
   69    70    62    59   4.00000 -1.0 2.0
   72    74    69    62   4.00000 -1.0 2.0
   69    73    72    50   1.10000 -1.0 2.0
   65    63    61    56   1.00000 -1.0 2.0
   61    71    63    64  10.50000 -1.0 2.0
END
